| SpectraBase Compound ID | IKqAeuEUOCy |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-11(12(2,3)13)10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3/t11-/m1/s1 |
| InChIKey | GJJDREYXGPPCGV-LLVKDONJSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80HgKgJllb0 |
|---|---|
| Name | 2-Methyl-3-phenylpentan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-4-11(12(2,3)13)10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3/t11-/m1/s1 |
| InChIKey | GJJDREYXGPPCGV-LLVKDONJSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C([C@@](C1=CC=CC=C1)(CC)[H])(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92525 |